4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C14H19N5OS — CID 116668712

IUPAC4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NCc2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c1-9(2)7-18-14-19-12(15)11(21-14)13(20)17-8-10-5-3-4-6-16-10/h3-6,9H,7-8,15H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXUYVIGWOVDXOHW-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.12
Rot. Bonds6

About 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668712) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116668712
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NCc2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c1-9(2)7-18-14-19-12(15)11(21-14)13(20)17-8-10-5-3-4-6-16-10/h3-6,9H,7-8,15H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXUYVIGWOVDXOHW-UHFFFAOYSA-N
XLogP2.12
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709
4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665119
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038
4-amino-2-(2-methylpropylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665976
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668462
4-amino-2-(2-methylpropylamino)-N-(3-methylsulfonylpropyl)-1,3-thiazole-5-carboxamide
CID 116664659
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116665523
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116668712) is 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)NCc2ccccn2)s1.
What is the InChIKey of 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XUYVIGWOVDXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9(2)7-18-14-19-12(15)11(21-14)13(20)17-8-10-5-3-4-6-16-10/h3-6,9H,7-8,15H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).